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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate structure

CAS No:
727711-11-7
Formula:
C26H25N3O5S
Chemical Name:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
Synonyms:
SMR000242921;MLS000394805;MLS003912116;CHEMBL1477193;HMS2512G11;ZINC3363805;AKOS001040854;MCULE-1911379479;Z24141436;[(2-cyanoethyl)(phenyl)carbamoyl]methyl 4-(3,4-dimethylbenzenesulfonamido)benzoate;727711-11-7

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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Basic Attributes

Molecular Weight：

491.6 g/mol

Exact Mass：

491.15149208 g/mol

Characteristics

PSA：

125 Å²

Computed Properties

Molecular Weight:491.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:491.15149208
Monoisotopic Mass:491.15149208
Topological Polar Surface Area:125
Heavy Atom Count:35
Complexity:863
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Basic Attributes
Characteristics
Computed Properties
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